⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28238557 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL25399272 | 0.79 | TDP1 (0.30) | — | |
| SCHEMBL3084592 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL10633694 | 0.72 | CA1 (0.34) | — | |
| SCHEMBL6559529 | 0.71 | HSD17B10 (0.32) | — | |
| SCHEMBL2317867 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL10633692 | 0.69 | CA1 (0.32) | — | |
| SCHEMBL5164634 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL11703766 | 0.68 | TSHR (0.30) | — | |
| SCHEMBL10629242 | 0.68 | CA1 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6506947-B1 | Fluorinated diol used for preparation of polyurethane material for coating of optical fibers, formed by reacting perfluoroalkyl iodide with trimethylolalkane monoallyl ether and dehydroiodinating product | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-01-14 | — | — | US | disclosed |